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(± ) -Zanubrutinib 25mg

CAT: 0628-A20381-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A20381-25Size:25 mg
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CAS Number
1633350-06-7

Chemical Information

((plusmn))-Zanubrutinib
CAS Number1633350-06-7
PubChem CID135905454
IUPAC Name2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular FormulaC27H29N5O3
Molecular Weight471.5
XLogP3.5
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity756
SMILES
C=CC(=O)N1CCC(CC1)C2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N
InChI
InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)
InChIKey
RNOAOAWBMHREKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ((plusmn))-Zanubrutinib
CAS: 1633350-06-7
CID: 135905454
Formula: C27H29N5O3
MW: 471.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.5
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass471.22703980
Monoisotopic Mass471.22703980
Topological Polar Surface Area102 Ų
Heavy Atom Count35
Formal Charge0
Complexity756
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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